SCHEMBL2937501

SCHEMBL2937501

Cc1cc(C(=O)N2CCCOc3ccccc32)ccc1CNC(=O)ON1CC(=O)N(CCO)c2cccc(F)c21

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.52
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1344495 0.90 AVPR2 (0.57) AVPR2
SCHEMBL2935640 0.88 AVPR2 (0.61) AVPR2
SCHEMBL2939635 0.82 AVPR2 (0.61) AVPR2
SCHEMBL2931288 0.82 AVPR2 (0.59) AVPR2
SCHEMBL2938186 0.82 AVPR2 (0.59) AVPR2
SCHEMBL2939621 0.81 AVPR2 (0.56) AVPR2
SCHEMBL2935190 0.81 AVPR2 (0.52) AVPR2
SCHEMBL2936224 0.80 AVPR2 (0.60) AVPR2
SCHEMBL2937303 0.80 AVPR2 (0.56) AVPR2
SCHEMBL2931351 0.79 AVPR2 (0.59) AVPR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778677-B1 HETEROCYCLIC CONDENSED COMPOUNDS USEFUL AS ANTIDIURETIC AGENTS VANTIA LTD (GB) 2010-02-03 EP claimed